ChemicalBook--->CAS DataBase List--->20870-78-4

20870-78-4

20870-78-4 Structure

20870-78-4 Structure
IdentificationMore
[Name]

5-Bromo-2-oxindole
[CAS]

20870-78-4
[Synonyms]

5-BROMO-1,3-DIHYDRO-2H-INDOL-2-ONE
5-BROMO-1,3-DIHYDRO-INDOL-2-ONE
5-BROMO-2,3-DIHYDRO-1H-INDOL-2-ONE
5-BROMO-2-INDOLINONE
5-BROMO-2-OXINDOLE
5-BROMO-2-OXOINDOLE
5-BROMO-2-OXYINDOLE
5-BROMOINDOLIN-2-ONE
5-BROMOOXINDOLE
TIMTEC-BB SBB005897
5-Bromooxindole ,98%
[EINECS(EC#)]

626-894-8
[Molecular Formula]

C8H6BrNO
[MDL Number]

MFCD00456998
[Molecular Weight]

212.04
[MOL File]

20870-78-4.mol
Questions And AnswerBack Directory
[Preparation]

Add 2.5 equal volumes of phosphorus oxychloride dropwise to dimethylformamide (5 ml per 1 ml POCl3), and cool in an ice bath. Stir the mixture for 5 minutes. Add the selected indole (1 equal volume) as a dimethylformamide solution (10 ml per 1 g indole). Heat the mixture to room temperature. Stir the mixture for 3 hours. When the reaction becomes a heavy suspension requiring vigorous stirring, add 10 equal volumes of 3.8 M potassium hydroxide aqueous solution through a dropping funnel. Heat the mixture under reflux overnight. Cool the mixture to room temperature. Add saturated sodium bicarbonate and ethyl acetate until the mixture becomes clear. Separate the organic layer. Extract the aqueous layer with ethyl acetate. Dry the combined organic layer on sodium sulfate. Filter the combined organic layer. Concentrate the combined organic layer under vacuum to give the title compound 5-Bromo-2-oxindole.
Chemical PropertiesBack Directory
[Melting point ]

220-224 °C(lit.)
[Boiling point ]

362.5±42.0 °C(Predicted)
[density ]

1.666±0.06 g/cm3(Predicted)
[storage temp. ]

Keep in dark place,Sealed in dry,Room Temperature
[solubility ]

Soluble in Dimethylformamide.
[form ]

Powder, Crystals or Granules
[pka]

13.27±0.20(Predicted)
[color ]

Yellow to orange to gold
[Detection Methods]

HPLC
[InChI]

InChI=1S/C8H6BrNO/c9-6-1-2-7-5(3-6)4-8(11)10-7/h1-3H,4H2,(H,10,11)
[InChIKey]

VIMNAEVMZXIKFL-UHFFFAOYSA-N
[SMILES]

N1C2=C(C=C(Br)C=C2)CC1=O
[CAS DataBase Reference]

20870-78-4(CAS DataBase Reference)
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H335-H317-H319-H315
[Precautionary statements ]

P280-P305+P351+P338-P264-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313-P261-P280a-P304+P340-P405-P501a
[Hazard Codes ]

Xi,Xn
[Risk Statements ]

R36:Irritating to the eyes.
R43:May cause sensitization by skin contact.
R36/37/38:Irritating to eyes, respiratory system and skin .
R20/21/22:Harmful by inhalation, in contact with skin and if swallowed .
[Safety Statements ]

S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36/37:Wear suitable protective clothing and gloves .
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection .
S22:Do not breathe dust .
[WGK Germany ]

3
[Hazard Note ]

Irritant
[HazardClass ]

IRRITANT
[HS Code ]

29337900
Raw materials And Preparation ProductsBack Directory
[Raw materials]

Ethanol-->Bromine-->N-Bromosuccinimide-->Potassium bromide-->acetonitrile-->Oxindole
[Preparation Products]

5-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl) indolin-2-one-->2H-Indole-2-thione, 5-bromo-1,3-dihydro-
Hazard InformationBack Directory
[Chemical Properties]

White to brown crytalline powder
[Uses]

5-Bromooxindole is an important raw material and intermediate used in organic synthesis, pharmaceuticals, agrochemicals and dyestuff.
Spectrum DetailBack Directory
[Spectrum Detail]

5-Bromo-2-oxindole(20870-78-4)1HNMR
5-Bromo-2-oxindole(20870-78-4)FT-IR
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

5-bromo-1,3-dihydro-2H-indol-2-one(20870-78-4)
[Alfa Aesar]

5-Bromooxindole(20870-78-4)
[Sigma Aldrich]

20870-78-4(sigmaaldrich)
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